title: Online spectral library for GC-atmospheric pressure chemical ionization-ToF MS.
abstract: BACKGROUND
  Invented more than three decades ago by Horning, GC-MS under atmospheric pressure chemical ionization (GC-APCI-MS) has only recently emerged from years of obscurity. However, the general acceptance of GC-APCI-MS is certainly constrained by the lack of spectral libraries, which make the traditional GC-MS approaches so powerful.
  
  
  RESULTS
  Here we present a concept of a GC-APCI-QqToF spectral library. The library is web-based, fully searchable and at moment includes spectra of 150 compounds from the most common chemical families. The fragmentation pattern of some chemical families is explained and a protocol for de novo identification has been provided in order to facilitate the identification of unknown compounds.
  
  
  CONCLUSIONS
  A library for GC-APCI-QqToF is now publicly available online.
authors.affiliation: Centre for Proteomics & Metabolomics, Leiden University Medical Centre, Leiden, The Netherlands. t.pacchiarotta@lumc.nl
authors.forename: Tiziana
authors.initials: T
authors.lastname: Pacchiarotta
authors.forename: Rico J E
authors.initials: RJ
authors.lastname: Derks
authors.forename: Elena
authors.initials: E
authors.lastname: Hurtado-Fernandez
authors.forename: Pauline
authors.initials: P
authors.lastname: van Bezooijen
authors.forename: Alex
authors.initials: A
authors.lastname: Henneman
authors.forename: Ralf
authors.initials: R
authors.lastname: Schiewek
authors.forename: Alberto
authors.initials: A
authors.lastname: Fernández-Gutiérrez
authors.forename: Alegría
authors.initials: A
authors.lastname: Carrasco-Pancorbo
authors.forename: André M
authors.initials: AM
authors.lastname: Deelder
authors.forename: Oleg A
authors.initials: OA
authors.lastname: Mayboroda
mesh_terms: D000081:Acetamides / Q000737:chemistry; D001274:Atmospheric Pressure; D002241:Carbohydrates / Q000032:analysis; D005260:Female; D005463:Fluoroacetates / Q000737:chemistry; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D006801:Humans; D006898:Hydroxylamines / Q000737:chemistry; D019308:Palmitic Acid / Q000032:analysis; D011725:Pyridines / Q000737:chemistry; D014297:Trimethylsilyl Compounds / Q000737:chemistry
chemical_list: D000081:Acetamides; D002241:Carbohydrates; D005463:Fluoroacetates; D006898:Hydroxylamines; D011725:Pyridines; D014297:Trimethylsilyl Compounds; C086665:N-methyl-N-(trimethylsilyl)trifluoroacetamide; D019308:Palmitic Acid; C005214:methoxyamine; C023666:pyridine